ChemSpider 2D Image | (16S)-5,5,9,16-Tetramethyl-7-oxo-2,14,17-triazatetracyclo[16.3.1.0~2,10~.0~3,8~]docosa-1(22),3(8),9,18,20-pentaene-19-carboxamide | C24H32N4O2

(16S)-5,5,9,16-Tetramethyl-7-oxo-2,14,17-triazatetracyclo[16.3.1.02,10.03,8]docosa-1(22),3(8),9,18,20-pentaene-19-carboxamide

  • Molecular FormulaC24H32N4O2
  • Average mass408.536 Da
  • Monoisotopic mass408.252533 Da
  • ChemSpider ID26325225

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(16S)-5,5,9,16-Tetramethyl-7-oxo-2,14,17-triazatetracyclo[16.3.1.02,10.03,8]docosa-1(22),3(8),9,18,20-pentaen-19-carboxamid [German] [ACD/IUPAC Name]
(16S)-5,5,9,16-Tetramethyl-7-oxo-2,14,17-triazatetracyclo[16.3.1.02,10.03,8]docosa-1(22),3(8),9,18,20-pentaene-19-carboxamide [ACD/IUPAC Name]
(16S)-5,5,9,16-Tétraméthyl-7-oxo-2,14,17-triazatétracyclo[16.3.1.02,10.03,8]docosa-1(22),3(8),9,18,20-pentaène-19-carboxamide [French] [ACD/IUPAC Name]
(6s)-6,15,15,18-Tetramethyl-17-Oxo-2,3,4,5,6,7,14,15,16,17-Decahydro-1h-8,12-(Metheno)[1,4,9]triazacyclotetradecino[9,8-A]indole-9-Carboxamide
1H-8,12-Metheno[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, 2,3,4,5,6,7,14,15,16,17-decahydro-6,15,15,18-tetramethyl-17-oxo-, (6S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 623.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.1±31.5 °C
Index of Refraction: 1.653
Molar Refractivity: 116.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.15
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 16.81
Polar Surface Area: 89 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 318.1±7.0 cm3

Click to predict properties on the Chemicalize site


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